2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide

C20H29FN2O3 — CID 110353983

IUPAC2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide
SMILESCCC(C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O3/c1-4-17(15-5-7-16(21)8-6-15)19(24)22-18(13-14(2)3)20(25)23-9-11-26-12-10-23/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,24)/t17?,18-/m0/s1
InChIKeyLAFSAXVNMNJVDB-ZVAWYAOSSA-N
MW364.46 g/mol
LogP2.71
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide

2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide (PubChem CID 110353983) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide
PubChem CID110353983
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide
SMILESCCC(C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O3/c1-4-17(15-5-7-16(21)8-6-15)19(24)22-18(13-14(2)3)20(25)23-9-11-26-12-10-23/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,24)/t17?,18-/m0/s1
InChIKeyLAFSAXVNMNJVDB-ZVAWYAOSSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
CID 84588764
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636
N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 110285714

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide (CID 110353983) is 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide is CCC(C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide?
The InChIKey is LAFSAXVNMNJVDB-ZVAWYAOSSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-4-17(15-5-7-16(21)8-6-15)19(24)22-18(13-14(2)3)20(25)23-9-11-26-12-10-23/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,24)/t17?,18-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide?
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide has a molecular weight of 364.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide is sourced from PubChem (CID 110353983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).